| CAS Number | 1333785-96-8 |
| Catalog Number | AG01AJZJ |
| Chemical Name | 2-(1H-Pyrazol-1-ylmethyl)benzoic acid hydrochloride |
| IUPAC Name | 2-(pyrazol-1-ylmethyl)benzoic acid;hydrochloride |
| InChI | InChI=1S/C11H10N2O2.ClH/c14-11(15)10-5-2-1-4-9(10)8-13-7-3-6-12-13;/h1-7H,8H2,(H,14,15);1H |
| InChI Key | OLAMXJSTLNIQLQ-UHFFFAOYSA-N |
| MDL Number | MFCD19982382 |
| Molecular Formula | C11H11ClN2O2 |
| Molecular Weight | 238.6702 |
| SMILES | Cl.OC(C1=C(CN2N=CC=C2)C=CC=C1)=O |
| Synonyms | 2-(1H-pyrazol-1-ylmethyl)benzoic acid hydrochloride,
1333785-96-8,
AKOS008132355,
MCULE-7585526824,
NE22623,
EN300-82337,
2-[(1H-pyrazol-1-yl)methyl]benzoic acid hydrochloride,
Z1255523425,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.671g/mol |
| Monoisotopic Mass | 238.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number